============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 31 0.900 -18.451 -21.867 -17.781 -99.200 -91.000 TYR 37 0.840 -15.602 -17.424 -19.504 -99.200 -91.000 HIS 39 0.900 -15.069 -12.709 -23.963 -99.200 -91.000 TRP 40 1.040 -18.383 -4.994 -24.809 -99.200 -91.000 TRP6 40 1.020 -20.246 -4.193 -26.033 -99.200 -91.000 TYR 41 0.840 -13.932 -9.989 -30.000 -99.200 -91.000 TYR 54 0.840 -9.454 -9.865 -20.691 -99.200 -91.000 PHE 60 1.000 -5.816 -8.440 -25.963 -99.200 -91.000 PHE 67 1.000 -11.982 2.371 -27.492 -99.200 -91.000 PHE 76 1.000 -23.365 -8.725 -19.915 -99.200 -91.000 PHE 88 1.000 -15.343 4.406 -40.005 -99.200 -91.000 TYR 91 0.840 -16.324 0.410 -31.590 -99.200 -91.000 TYR 92 0.840 -19.434 -7.018 -35.333 -99.200 -91.000 TRP 101 1.040 -17.872 -20.394 -28.109 -99.200 -91.000 TRP6 101 1.020 -15.532 -20.163 -28.449 -99.200 -91.000 PHE 103 1.000 -18.491 -13.104 -32.743 -99.200 -91.000 PHE 121 1.000 -8.575 16.653 -57.631 -99.200 -91.000 PHE 123 1.000 -8.136 11.477 -62.292 -99.200 -91.000 PHE 144 1.000 -17.733 13.360 -50.370 -99.200 -91.000 TYR 145 0.840 -19.364 14.585 -41.830 -99.200 -91.000 TRP 153 1.040 -20.677 10.523 -64.576 -99.200 -91.000 TRP6 153 1.020 -18.567 11.282 -65.325 -99.200 -91.000 TYR 178 0.840 -18.012 9.538 -44.931 -99.200 -91.000 TYR 191 0.840 -13.508 9.396 -74.791 -99.200 -91.000 HIS 194 0.900 -21.580 11.421 -78.300 -99.200 -91.000 TYR 197 0.840 -16.900 12.313 -73.238 -99.200 -91.000 HIS 203 0.900 -20.769 17.739 -49.592 -99.200 -91.000 PHE 214 1.000 -12.700 14.326 -70.588 -99.200 -91.000